4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine

C18H18BrN5 — CID 22544393

IUPAC4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccc(Nc2ncnc(Nc3cccc(Br)c3)c2N)cc1
InChIInChI=1S/C18H18BrN5/c1-2-12-6-8-14(9-7-12)23-17-16(20)18(22-11-21-17)24-15-5-3-4-13(19)10-15/h3-11H,2,20H2,1H3,(H2,21,22,23,24)
InChIKeyBOVNSOOOHWABLH-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.87
Rot. Bonds5

About 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine

4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22544393) has the molecular formula C18H18BrN5 and a molecular weight of 384.28 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22544393
Molecular FormulaC18H18BrN5
Molecular Weight384.28 g/mol
Exact Mass383.07
IUPAC Name4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
SMILESCCc1ccc(Nc2ncnc(Nc3cccc(Br)c3)c2N)cc1
InChIInChI=1S/C18H18BrN5/c1-2-12-6-8-14(9-7-12)23-17-16(20)18(22-11-21-17)24-15-5-3-4-13(19)10-15/h3-11H,2,20H2,1H3,(H2,21,22,23,24)
InChIKeyBOVNSOOOHWABLH-UHFFFAOYSA-N
XLogP4.87
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19150563
6-N-(3-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19152959
N-(3-bromophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 63735452
4-N-(3-bromophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148508
4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80760427
6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544389
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
ethyl 3-[[5-amino-6-(4-ethoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 19146402
4-N-(3-bromophenyl)-6-(3,5-dimethylphenoxy)pyrimidine-4,5-diamine
CID 22540817
6-N-(4-butylphenyl)-4-N-(3-chlorophenyl)pyrimidine-4,5,6-triamine
CID 22540062

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine (CID 22544393) is 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine is CCc1ccc(Nc2ncnc(Nc3cccc(Br)c3)c2N)cc1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is BOVNSOOOHWABLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5/c1-2-12-6-8-14(9-7-12)23-17-16(20)18(22-11-21-17)24-15-5-3-4-13(19)10-15/h3-11H,2,20H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine?
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 384.28 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22544393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).